N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine

C20H33N — CID 65018552

IUPACN-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1C)C1CCCCCCC1
InChIInChI=1S/C20H33N/c1-4-14-21-20(18-10-8-6-5-7-9-11-18)19-13-12-16(2)15-17(19)3/h12-13,15,18,20-21H,4-11,14H2,1-3H3
InChIKeyMYLPLFIQLQQOQV-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.70
Rot. Bonds5

About N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine

N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine (PubChem CID 65018552) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
PubChem CID65018552
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1C)C1CCCCCCC1
InChIInChI=1S/C20H33N/c1-4-14-21-20(18-10-8-6-5-7-9-11-18)19-13-12-16(2)15-17(19)3/h12-13,15,18,20-21H,4-11,14H2,1-3H3
InChIKeyMYLPLFIQLQQOQV-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415003
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509
N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881354
N-[2-bicyclo[2.2.1]heptanyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63502670
N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 63475749

Frequently Asked Questions

What is the IUPAC name of N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine (CID 65018552) is N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1C)C1CCCCCCC1.
What is the InChIKey of N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is MYLPLFIQLQQOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-14-21-20(18-10-8-6-5-7-9-11-18)19-13-12-16(2)15-17(19)3/h12-13,15,18,20-21H,4-11,14H2,1-3H3.
What are the key properties of N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine?
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 65018552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).